4-chloranyl-2-[[(2R)-2-(dimethylazaniumyl)-2-(4-ethylphenyl)ethyl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[[(2R)-2-(dimethylazaniumyl)-2-(4-ethylphenyl)ethyl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[(2R)-2-(dimethylammonio)-2-(4-ethylphenyl)ethyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[(2R)-2-(dimethylammonio)-2-(4-ethylphenyl)ethyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[(2R)-2-(dimethylazaniumyl)-2-(4-ethylphenyl)ethyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[(2R)-2-(dimethylammonio)-2-(4-ethylphenyl)ethyl]iminomethyl]-6-nitro-phenolate Formula: C19H22ClN3O3 MolecularWeight: 375.84928

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)[NH+](C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](CN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)[NH+](C)C

InChI

InChI=1S/C19H22ClN3O3/c1-4-13-5-7-14(8-6-13)18(22(2)3)12-21-11-15-9-16(20)10-17(19(15)24)23(25)26/h5-11,18,24H,4,12H2,1-3H3/t18-/m0/s1